N-(6-methoxypyridin-3-yl)-4-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(6-methoxypyridin-3-yl)-4-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(6-methoxy-3-pyridyl)-4-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(6-methoxy-3-pyridinyl)-4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(6-methoxypyridin-3-yl)-4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-N-(6-methoxy-3-pyridyl)piperazin-4-ium-1-carboxamide Formula: C22H23N6O3S2+ MolecularWeight: 483.58642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3

Isomeric SMILES

COC1=NC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3

InChI

InChI=1S/C22H22N6O3S2/c1-31-18-5-4-14(11-23-18)24-22(30)28-8-6-27(7-9-28)12-17-25-20(29)19-15(13-33-21(19)26-17)16-3-2-10-32-16/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,30)(H,25,26,29)/p+1